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Chemical ID: 3963950
Chemical ID:
3963950
Name [?]:
1-aminocyclobutane-1,3-dicarboxylic acid
SMILES [?]:
C1C(CC1(C(=O)O)N)C(=O)O
InChi [?]:
InChI=1/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,2,9,5,4,8,10,11,6,7/E:(1,2)(8,9)(10,11)/rA:11nCCCCCOONCOO/rB:s1;s2;s1s3;s4;d5;s5;s4;s2;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H9NO4 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.20405 |
Area: | 310.371 |
Solvation: | -2.55523 |
Coulombic: | -64.2931 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 159.14 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -3.64 |
LogP (Chemaxon): | -3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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